{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.596447 0.5894877 3.838334 ] [ 1.369077 2.86119 3.866131 ] [ 2.011058 5.105046 2.796353 ] [ 3.116098 2.834339 2.386368 ] [ 3.638135 2.33604 4.892399 ] [ 3.921466 4.7829 1.89112 ] [ 5.122204 3.316972 3.335617 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.596447e-10 5.894877e-11 3.838334e-10 ] [ 1.369077e-10 2.86119e-10 3.866131e-10 ] [ 2.011058e-10 5.105046e-10 2.796353e-10 ] [ 3.116098e-10 2.834339e-10 2.386368e-10 ] [ 3.638135e-10 2.33604e-10 4.892399e-10 ] [ 3.921466e-10 4.7829e-10 1.89112e-10 ] [ 5.122204e-10 3.316972e-10 3.335617e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.7581426 -2.4049422 -0.1954862 ] [ -3.8523007 0.8755721 1.7755944 ] [ -4.4824414 2.5111694 1.5656715 ] [ -1.9982969 -6.3370096 -5.4264979 ] [ 1.6545365 -0.1196681 3.9632812 ] [ 4.2206076 5.4371583 -3.6688548 ] [ 5.2160374 0.03772 1.9862919 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.214678348952526e-09 -3.853142167215318e-09 -3.13203419329033e-10 ] [ -6.172066117831475e-09 1.40282114844476e-09 2.844815835703403e-09 ] [ -7.181662815186021e-09 4.023336903548364e-09 2.508482273152868e-09 ] [ -3.201624574597116e-09 -1.015300862690516e-08 -8.694208068200297e-09 ] [ 2.650859698560259e-09 -1.917294320755565e-10 6.349876480296169e-09 ] [ 6.762158822290798e-09 8.711287911848673e-09 -5.87815338566986e-09 ] [ 8.357013175498418e-09 6.043410213657599e-11 3.182390444264412e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.582359 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.496569128671247e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3231624 1.1203209 3.605382 ] [ 1.4972777 3.3129021 4.488813 ] [ 1.8673134 4.2709671 2.3326611 ] [ 3.2081298 2.2786452 1.6950505 ] [ 3.8285404 2.4862627 5.0675541 ] [ 4.0009406 5.2141266 2.6943032 ] [ 5.0491207 3.14275 3.1225581 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3231624e-10 1.1203209e-10 3.605382e-10 ] [ 1.4972777e-10 3.3129021e-10 4.488813000000001e-10 ] [ 1.8673134e-10 4.2709671e-10 2.3326611e-10 ] [ 3.2081298e-10 2.2786452e-10 1.6950505e-10 ] [ 3.8285404e-10 2.4862627e-10 5.0675541e-10 ] [ 4.0009406e-10 5.2141266e-10 2.6943032e-10 ] [ 5.0491207e-10 3.14275e-10 3.1225581e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.24e-05 -4e-07 -6.7e-06 ] [ 5.01e-05 -9.1e-06 -2.98e-05 ] [ -5.8e-06 -7.5e-06 2.4e-05 ] [ 4.2e-06 8e-07 1.9e-05 ] [ -1.66e-05 3.32e-05 -2.5e-05 ] [ -1.6e-05 1.33e-05 7.5e-06 ] [ -3.5e-06 -3.03e-05 1.11e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.986699009792e-14 -6.408706483200001e-16 -1.073458335936e-14 ] [ 8.026904870208e-14 -1.457980724928e-14 -4.774486329984001e-14 ] [ -9.292624400640001e-15 -1.2016324656e-14 3.84522388992e-14 ] [ 6.72914180736e-15 1.28174129664e-15 3.04413557952e-14 ] [ -2.659613190528e-14 5.319226381056e-14 -4.005441552e-14 ] [ -2.56348259328e-14 2.130894905664e-14 1.2016324656e-14 ] [ -5.6076181728e-15 -4.854595161024e-14 1.778416049088e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.439394 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.11453425893198e-18 } }